N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H18N2O3S — CID 46682489

IUPACN-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)C(C)NC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O3S/c1-11(18-16(20)14-7-4-8-22-14)15(19)17-10-12-5-3-6-13(9-12)21-2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMJOCPXLSEYYKIO-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.19
Rot. Bonds6

About N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46682489) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46682489
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)C(C)NC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O3S/c1-11(18-16(20)14-7-4-8-22-14)15(19)17-10-12-5-3-6-13(9-12)21-2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMJOCPXLSEYYKIO-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[3-(2-fluorophenoxy)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 154850530
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46643139
N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 42959799
N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46477196
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110348403
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 41104628
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46682489) is N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is COc1cccc(CNC(=O)C(C)NC(=O)c2cccs2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is MJOCPXLSEYYKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(18-16(20)14-7-4-8-22-14)15(19)17-10-12-5-3-6-13(9-12)21-2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46682489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).